# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.51912157
_cell_length_b   22.80229459
_cell_length_c   46.05554463
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg336
_cell_volume   17347.9205252
_cell_formula_units_Z   336
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg1  1  0.999092  0.736419  0.287184  1
  Mg  Mg2  1  0.166300  0.707226  0.317114  1
  Mg  Mg3  1  0.999563  0.207346  0.317290  1
  Mg  Mg4  1  0.332431  0.735982  0.287165  1
  Mg  Mg5  1  0.499637  0.707095  0.317114  1
  Mg  Mg6  1  0.166885  0.178148  0.347890  1
  Mg  Mg7  1  0.334348  0.207096  0.317397  1
  Mg  Mg8  1  0.665737  0.736216  0.287184  1
  Mg  Mg9  1  0.832961  0.707348  0.317137  1
  Mg  Mg10  1  0.499541  0.236112  0.287124  1
  Mg  Mg11  1  0.666795  0.207300  0.317087  1
  Mg  Mg12  1  0.833246  0.236506  0.287170  1
  Mg  Mg13  1  0.052089  0.340358  0.310118  1
  Mg  Mg14  1  0.221064  0.310781  0.339901  1
  Mg  Mg15  1  0.054770  0.810787  0.340306  1
  Mg  Mg16  1  0.388798  0.339369  0.309783  1
  Mg  Mg17  1  0.555152  0.310596  0.340361  1
  Mg  Mg18  1  0.220865  0.839171  0.309648  1
  Mg  Mg19  1  0.388100  0.810524  0.340310  1
  Mg  Mg20  1  0.720979  0.339298  0.309674  1
  Mg  Mg21  1  0.887731  0.310665  0.340528  1
  Mg  Mg22  1  0.553969  0.839249  0.309649  1
  Mg  Mg23  1  0.721357  0.810752  0.340307  1
  Mg  Mg24  1  0.887351  0.839440  0.309663  1
  Mg  Mg25  1  0.999904  0.472951  0.302537  1
  Mg  Mg26  1  0.166382  0.443160  0.332457  1
  Mg  Mg27  1  1.000319  0.942684  0.332272  1
  Mg  Mg28  1  0.332744  0.472097  0.302513  1
  Mg  Mg29  1  0.500296  0.442642  0.332311  1
  Mg  Mg30  1  0.166998  0.972496  0.302527  1
  Mg  Mg31  1  0.333728  0.942366  0.332309  1
  Mg  Mg32  1  0.666790  0.472624  0.302541  1
  Mg  Mg33  1  0.833591  0.442588  0.332330  1
  Mg  Mg34  1  0.500035  0.972662  0.302501  1
  Mg  Mg35  1  0.666917  0.942614  0.332239  1
  Mg  Mg36  1  0.833525  0.972860  0.302512  1
  Mg  Mg37  1  0.112089  0.575317  0.324779  1
  Mg  Mg38  1  0.278995  0.604318  0.294762  1
  Mg  Mg39  1  0.111389  0.103272  0.294899  1
  Mg  Mg40  1  0.445418  0.574856  0.324653  1
  Mg  Mg41  1  0.612569  0.604543  0.294775  1
  Mg  Mg42  1  0.279098  0.074656  0.324811  1
  Mg  Mg43  1  0.445638  0.104563  0.294734  1
  Mg  Mg44  1  0.778993  0.575116  0.324731  1
  Mg  Mg45  1  0.945830  0.604836  0.294777  1
  Mg  Mg46  1  0.612385  0.075177  0.324626  1
  Mg  Mg47  1  0.779676  0.104861  0.294740  1
  Mg  Mg48  1  0.945431  0.075185  0.324883  1
  Mg  Mg49  1  0.999995  0.678178  0.348326  1
  Mg  Mg50  1  0.166856  0.648977  0.379105  1
  Mg  Mg51  1  0.000521  0.149059  0.379083  1
  Mg  Mg52  1  0.333328  0.677886  0.348286  1
  Mg  Mg53  1  0.500148  0.648827  0.379052  1
  Mg  Mg54  1  0.167307  0.120027  0.410388  1
  Mg  Mg55  1  0.333647  0.148890  0.379051  1
  Mg  Mg56  1  0.666723  0.678025  0.348305  1
  Mg  Mg57  1  0.833525  0.649019  0.379096  1
  Mg  Mg58  1  0.500415  0.177989  0.348283  1
  Mg  Mg59  1  0.667067  0.148966  0.379068  1
  Mg  Mg60  1  0.833695  0.178152  0.348311  1
  Mg  Mg61  1  0.054955  0.281369  0.371464  1
  Mg  Mg62  1  0.222241  0.252344  0.402336  1
  Mg  Mg63  1  0.055624  0.752387  0.402581  1
  Mg  Mg64  1  0.388520  0.281248  0.371245  1
  Mg  Mg65  1  0.555516  0.252289  0.402581  1
  Mg  Mg66  1  0.221905  0.781183  0.371241  1
  Mg  Mg67  1  0.388953  0.752225  0.402571  1
  Mg  Mg68  1  0.721887  0.281182  0.371330  1
  Mg  Mg69  1  0.888955  0.252302  0.402678  1
  Mg  Mg70  1  0.555228  0.781156  0.371241  1
  Mg  Mg71  1  0.722287  0.752346  0.402579  1
  Mg  Mg72  1  0.888542  0.781337  0.371252  1
  Mg  Mg73  1  1.000054  0.413830  0.363940  1
  Mg  Mg74  1  0.166777  0.384422  0.394546  1
  Mg  Mg75  1  1.000269  0.884675  0.394697  1
  Mg  Mg76  1  0.333373  0.413312  0.363659  1
  Mg  Mg77  1  0.500124  0.384555  0.394685  1
  Mg  Mg78  1  0.167130  0.913584  0.363745  1
  Mg  Mg79  1  0.333632  0.884504  0.394711  1
  Mg  Mg80  1  0.667058  0.413585  0.363769  1
  Mg  Mg81  1  0.833430  0.384620  0.394797  1
  Mg  Mg82  1  0.500446  0.913542  0.363744  1
  Mg  Mg83  1  0.666926  0.884603  0.394697  1
  Mg  Mg84  1  0.833726  0.913709  0.363741  1
  Mg  Mg85  1  0.111717  0.516767  0.386885  1
  Mg  Mg86  1  0.278558  0.545846  0.356135  1
  Mg  Mg87  1  0.112043  0.045863  0.356167  1
  Mg  Mg88  1  0.445043  0.516514  0.386766  1
  Mg  Mg89  1  0.611967  0.545916  0.356130  1
  Mg  Mg90  1  0.278658  0.016565  0.386811  1
  Mg  Mg91  1  0.445425  0.045871  0.356100  1
  Mg  Mg92  1  0.778514  0.516669  0.386811  1
  Mg  Mg93  1  0.945233  0.546020  0.356158  1
  Mg  Mg94  1  0.611890  0.016655  0.386760  1
  Mg  Mg95  1  0.778543  0.045983  0.356114  1
  Mg  Mg96  1  0.945245  0.016708  0.386810  1
  Mg  Mg97  1  0.000430  0.619875  0.410679  1
  Mg  Mg98  1  0.167033  0.590672  0.441867  1
  Mg  Mg99  1  0.000539  0.090743  0.441810  1
  Mg  Mg100  1  0.333776  0.619707  0.410655  1
  Mg  Mg101  1  0.500323  0.590629  0.441834  1
  Mg  Mg102  1  0.167161  0.061727  0.473207  1
  Mg  Mg103  1  0.333754  0.090681  0.441805  1
  Mg  Mg104  1  0.667126  0.619785  0.410656  1
  Mg  Mg105  1  0.833638  0.590740  0.441868  1
  Mg  Mg106  1  0.500533  0.119784  0.410614  1
  Mg  Mg107  1  0.667104  0.090703  0.441819  1
  Mg  Mg108  1  0.833990  0.119837  0.410627  1
  Mg  Mg109  1  0.055847  0.222989  0.433994  1
  Mg  Mg110  1  0.222578  0.194057  0.465277  1
  Mg  Mg111  1  0.055884  0.694018  0.465389  1
  Mg  Mg112  1  0.389025  0.222966  0.433919  1
  Mg  Mg113  1  0.555839  0.194002  0.465375  1
  Mg  Mg114  1  0.222445  0.722969  0.433955  1
  Mg  Mg115  1  0.389205  0.693960  0.465393  1
  Mg  Mg116  1  0.722399  0.222967  0.433981  1
  Mg  Mg117  1  0.889264  0.193989  0.465409  1
  Mg  Mg118  1  0.555746  0.722931  0.433946  1
  Mg  Mg119  1  0.722507  0.694024  0.465396  1
  Mg  Mg120  1  0.889082  0.723040  0.433967  1
  Mg  Mg121  1  1.000234  0.355287  0.426285  1
  Mg  Mg122  1  0.167011  0.326224  0.457435  1
  Mg  Mg123  1  1.000356  0.826282  0.457497  1
  Mg  Mg124  1  0.333546  0.355167  0.426165  1
  Mg  Mg125  1  0.500237  0.326231  0.457499  1
  Mg  Mg126  1  0.167055  0.855238  0.426188  1
  Mg  Mg127  1  0.333713  0.826205  0.457508  1
  Mg  Mg128  1  0.666879  0.355206  0.426228  1
  Mg  Mg129  1  0.833596  0.326246  0.457544  1
  Mg  Mg130  1  0.500378  0.855173  0.426198  1
  Mg  Mg131  1  0.667006  0.826243  0.457502  1
  Mg  Mg132  1  0.833695  0.855275  0.426202  1
  Mg  Mg133  1  0.111566  0.458427  0.449653  1
  Mg  Mg134  1  0.278207  0.487369  0.418416  1
  Mg  Mg135  1  0.111743  0.987555  0.418430  1
  Mg  Mg136  1  0.444841  0.458451  0.449674  1
  Mg  Mg137  1  0.611572  0.487472  0.418445  1
  Mg  Mg138  1  0.278330  0.958472  0.449688  1
  Mg  Mg139  1  0.445037  0.987455  0.418436  1
  Mg  Mg140  1  0.778132  0.458523  0.449722  1
  Mg  Mg141  1  0.944826  0.487609  0.418536  1
  Mg  Mg142  1  0.611618  0.958503  0.449671  1
  Mg  Mg143  1  0.778330  0.987535  0.418436  1
  Mg  Mg144  1  0.944961  0.958539  0.449680  1
  Mg  Mg145  1  0.000389  0.561592  0.473366  1
  Mg  Mg146  1  0.167021  0.532496  0.504690  1
  Mg  Mg147  1  0.000453  0.032588  0.504662  1
  Mg  Mg148  1  0.333701  0.561532  0.473343  1
  Mg  Mg149  1  0.500326  0.532559  0.504707  1
  Mg  Mg150  1  0.167064  0.003555  0.535990  1
  Mg  Mg151  1  0.333794  0.032588  0.504659  1
  Mg  Mg152  1  0.666995  0.561594  0.473354  1
  Mg  Mg153  1  0.833657  0.532567  0.504712  1
  Mg  Mg154  1  0.500444  0.061601  0.473312  1
  Mg  Mg155  1  0.667100  0.032574  0.504673  1
  Mg  Mg156  1  0.833811  0.061618  0.473316  1
  Mg  Mg157  1  0.055962  0.164840  0.496803  1
  Mg  Mg158  1  0.222673  0.135876  0.528100  1
  Mg  Mg159  1  0.055932  0.635790  0.528148  1
  Mg  Mg160  1  0.389231  0.164866  0.496776  1
  Mg  Mg161  1  0.555960  0.135841  0.528136  1
  Mg  Mg162  1  0.222570  0.664816  0.496787  1
  Mg  Mg163  1  0.389234  0.635827  0.528177  1
  Mg  Mg164  1  0.722573  0.164844  0.496796  1
  Mg  Mg165  1  0.889331  0.135797  0.528152  1
  Mg  Mg166  1  0.555839  0.664836  0.496804  1
  Mg  Mg167  1  0.722538  0.635823  0.528161  1
  Mg  Mg168  1  0.889198  0.664852  0.496806  1
  Mg  Mg169  1  0.000421  0.297062  0.489012  1
  Mg  Mg170  1  0.167131  0.268103  0.520294  1
  Mg  Mg171  1  0.000423  0.768084  0.520309  1
  Mg  Mg172  1  0.333729  0.297073  0.488969  1
  Mg  Mg173  1  0.500417  0.268113  0.520325  1
  Mg  Mg174  1  0.167127  0.797081  0.488956  1
  Mg  Mg175  1  0.333793  0.768079  0.520340  1
  Mg  Mg176  1  0.667029  0.297070  0.489001  1
  Mg  Mg177  1  0.833770  0.268067  0.520335  1
  Mg  Mg178  1  0.500437  0.797047  0.488992  1
  Mg  Mg179  1  0.667063  0.768084  0.520337  1
  Mg  Mg180  1  0.833743  0.797085  0.488993  1
  Mg  Mg181  1  0.111576  0.400309  0.512503  1
  Mg  Mg182  1  0.278201  0.429269  0.481169  1
  Mg  Mg183  1  0.111622  0.929352  0.481123  1
  Mg  Mg184  1  0.444879  0.400342  0.512518  1
  Mg  Mg185  1  0.611476  0.429296  0.481186  1
  Mg  Mg186  1  0.278324  0.900328  0.512511  1
  Mg  Mg187  1  0.444959  0.929277  0.481170  1
  Mg  Mg188  1  0.778183  0.400329  0.512528  1
  Mg  Mg189  1  0.944827  0.429308  0.481210  1
  Mg  Mg190  1  0.611609  0.900329  0.512510  1
  Mg  Mg191  1  0.778244  0.929309  0.481164  1
  Mg  Mg192  1  0.944918  0.900346  0.512493  1
  Mg  Mg193  1  1.000275  0.503365  0.536134  1
  Mg  Mg194  1  0.166982  0.474373  0.567552  1
  Mg  Mg195  1  1.000330  0.974386  0.567479  1
  Mg  Mg196  1  0.333638  0.503414  0.536153  1
  Mg  Mg197  1  0.500256  0.474448  0.567554  1
  Mg  Mg198  1  0.166907  0.945290  0.598653  1
  Mg  Mg199  1  0.333810  0.974450  0.567481  1
  Mg  Mg200  1  0.666912  0.503425  0.536145  1
  Mg  Mg201  1  0.833601  0.474346  0.567527  1
  Mg  Mg202  1  0.500395  0.003445  0.536102  1
  Mg  Mg203  1  0.667029  0.974401  0.567508  1
  Mg  Mg204  1  0.833670  0.003420  0.536103  1
  Mg  Mg205  1  0.055986  0.106707  0.559650  1
  Mg  Mg206  1  0.222677  0.077663  0.590817  1
  Mg  Mg207  1  0.055843  0.577483  0.590809  1
  Mg  Mg208  1  0.389299  0.106772  0.559632  1
  Mg  Mg209  1  0.555930  0.077656  0.590826  1
  Mg  Mg210  1  0.222588  0.606660  0.559613  1
  Mg  Mg211  1  0.389131  0.577722  0.590916  1
  Mg  Mg212  1  0.722606  0.106736  0.559633  1
  Mg  Mg213  1  0.889287  0.077568  0.590830  1
  Mg  Mg214  1  0.555827  0.606758  0.559673  1
  Mg  Mg215  1  0.722536  0.577615  0.590844  1
  Mg  Mg216  1  0.889182  0.606699  0.559645  1
  Mg  Mg217  1  0.000557  0.238903  0.551849  1
  Mg  Mg218  1  0.167338  0.209925  0.583038  1
  Mg  Mg219  1  0.000524  0.709849  0.583022  1
  Mg  Mg220  1  0.333875  0.238987  0.551828  1
  Mg  Mg221  1  0.500651  0.209973  0.583049  1
  Mg  Mg222  1  0.167221  0.738917  0.551768  1
  Mg  Mg223  1  0.333906  0.709973  0.583120  1
  Mg  Mg224  1  0.667188  0.238947  0.551840  1
  Mg  Mg225  1  0.833986  0.209861  0.583053  1
  Mg  Mg226  1  0.500491  0.738945  0.551870  1
  Mg  Mg227  1  0.667211  0.709903  0.583085  1
  Mg  Mg228  1  0.833776  0.738924  0.551845  1
  Mg  Mg229  1  0.111734  0.342196  0.575309  1
  Mg  Mg230  1  0.278268  0.371138  0.543979  1
  Mg  Mg231  1  0.111637  0.871171  0.543866  1
  Mg  Mg232  1  0.445043  0.342273  0.575317  1
  Mg  Mg233  1  0.611561  0.371147  0.543993  1
  Mg  Mg234  1  0.278497  0.842212  0.575333  1
  Mg  Mg235  1  0.445013  0.871111  0.543992  1
  Mg  Mg236  1  0.778366  0.342164  0.575304  1
  Mg  Mg237  1  0.944918  0.371082  0.543993  1
  Mg  Mg238  1  0.611742  0.842189  0.575337  1
  Mg  Mg239  1  0.778240  0.871106  0.543979  1
  Mg  Mg240  1  0.944988  0.842180  0.575274  1
  Mg  Mg241  1  1.000082  0.444970  0.598938  1
  Mg  Mg242  1  0.166853  0.416182  0.630292  1
  Mg  Mg243  1  1.000190  0.916119  0.630206  1
  Mg  Mg244  1  0.333399  0.445128  0.598966  1
  Mg  Mg245  1  0.500175  0.416245  0.630282  1
  Mg  Mg246  1  0.166902  0.887084  0.660956  1
  Mg  Mg247  1  0.333804  0.916289  0.630233  1
  Mg  Mg248  1  0.666763  0.445063  0.598946  1
  Mg  Mg249  1  0.833462  0.416050  0.630240  1
  Mg  Mg250  1  0.500281  0.945094  0.598910  1
  Mg  Mg251  1  0.666967  0.916173  0.630275  1
  Mg  Mg252  1  0.833437  0.945033  0.598901  1
  Mg  Mg253  1  0.055814  0.048396  0.622415  1
  Mg  Mg254  1  0.222221  0.019154  0.653128  1
  Mg  Mg255  1  0.055476  0.519126  0.653109  1
  Mg  Mg256  1  0.389089  0.048546  0.622414  1
  Mg  Mg257  1  0.555358  0.019275  0.653088  1
  Mg  Mg258  1  0.222245  0.548602  0.622499  1
  Mg  Mg259  1  0.388767  0.519316  0.653115  1
  Mg  Mg260  1  0.722375  0.048490  0.622381  1
  Mg  Mg261  1  0.888906  0.019166  0.653066  1
  Mg  Mg262  1  0.555727  0.548539  0.622426  1
  Mg  Mg263  1  0.722216  0.519256  0.653098  1
  Mg  Mg264  1  0.888949  0.548376  0.622387  1
  Mg  Mg265  1  0.000666  0.180619  0.614697  1
  Mg  Mg266  1  0.167342  0.151563  0.645434  1
  Mg  Mg267  1  0.000402  0.651318  0.645368  1
  Mg  Mg268  1  0.333995  0.180779  0.614658  1
  Mg  Mg269  1  0.500615  0.151716  0.645433  1
  Mg  Mg270  1  0.167200  0.680551  0.614527  1
  Mg  Mg271  1  0.333660  0.651808  0.645611  1
  Mg  Mg272  1  0.667308  0.180720  0.614678  1
  Mg  Mg273  1  0.834001  0.151547  0.645447  1
  Mg  Mg274  1  0.500548  0.680737  0.614761  1
  Mg  Mg275  1  0.667351  0.651638  0.645491  1
  Mg  Mg276  1  0.833878  0.680691  0.614702  1
  Mg  Mg277  1  0.112310  0.283798  0.637729  1
  Mg  Mg278  1  0.278557  0.312954  0.606841  1
  Mg  Mg279  1  0.111843  0.812904  0.606591  1
  Mg  Mg280  1  0.445621  0.283972  0.637738  1
  Mg  Mg281  1  0.611889  0.312918  0.606848  1
  Mg  Mg282  1  0.278764  0.783979  0.637917  1
  Mg  Mg283  1  0.445293  0.812878  0.606922  1
  Mg  Mg284  1  0.778973  0.283787  0.637739  1
  Mg  Mg285  1  0.945202  0.312780  0.606838  1
  Mg  Mg286  1  0.612402  0.783818  0.637839  1
  Mg  Mg287  1  0.778498  0.812834  0.606880  1
  Mg  Mg288  1  0.945663  0.783838  0.637752  1
  Mg  Mg289  1  1.000118  0.386768  0.661377  1
  Mg  Mg290  1  0.166485  0.357904  0.691792  1
  Mg  Mg291  1  0.000973  0.857890  0.691985  1
  Mg  Mg292  1  0.333453  0.387073  0.661454  1
  Mg  Mg293  1  0.499716  0.358086  0.691828  1
  Mg  Mg294  1  0.167187  0.829012  0.722152  1
  Mg  Mg295  1  0.332696  0.858063  0.691895  1
  Mg  Mg296  1  0.666827  0.386952  0.661420  1
  Mg  Mg297  1  0.833040  0.357834  0.691802  1
  Mg  Mg298  1  0.500347  0.887042  0.661445  1
  Mg  Mg299  1  0.666606  0.858017  0.691836  1
  Mg  Mg300  1  0.833693  0.886896  0.661417  1
  Mg  Mg301  1  0.055675  0.989942  0.684466  1
  Mg  Mg302  1  0.221611  0.960560  0.714545  1
  Mg  Mg303  1  0.056035  0.461564  0.714400  1
  Mg  Mg304  1  0.388613  0.990450  0.684562  1
  Mg  Mg305  1  0.556621  0.962294  0.714397  1
  Mg  Mg306  1  0.222030  0.490575  0.684475  1
  Mg  Mg307  1  0.389670  0.462312  0.714412  1
  Mg  Mg308  1  0.722277  0.990427  0.684326  1
  Mg  Mg309  1  0.889395  0.961993  0.714380  1
  Mg  Mg310  1  0.555644  0.490410  0.684401  1
  Mg  Mg311  1  0.723018  0.462013  0.714411  1
  Mg  Mg312  1  0.888739  0.490106  0.684324  1
  Mg  Mg313  1  0.000584  0.121774  0.676788  1
  Mg  Mg314  1  0.167718  0.092759  0.706749  1
  Mg  Mg315  1  1.000251  0.592286  0.706753  1
  Mg  Mg316  1  0.333834  0.122090  0.676734  1
  Mg  Mg317  1  0.500841  0.093168  0.706732  1
  Mg  Mg318  1  0.166658  0.622592  0.676939  1
  Mg  Mg319  1  0.333999  0.593224  0.706758  1
  Mg  Mg320  1  0.667081  0.122015  0.676720  1
  Mg  Mg321  1  0.834050  0.092952  0.706725  1
  Mg  Mg322  1  0.500436  0.622019  0.676799  1
  Mg  Mg323  1  0.667485  0.592959  0.706765  1
  Mg  Mg324  1  0.833945  0.622063  0.676819  1
  Mg  Mg325  1  0.113191  0.224796  0.698992  1
  Mg  Mg326  1  0.279177  0.254530  0.669019  1
  Mg  Mg327  1  0.112458  0.754679  0.668696  1
  Mg  Mg328  1  0.446286  0.225093  0.698993  1
  Mg  Mg329  1  0.612433  0.254549  0.669061  1
  Mg  Mg330  1  0.278084  0.725909  0.699455  1
  Mg  Mg331  1  0.445531  0.754465  0.669220  1
  Mg  Mg332  1  0.779584  0.224888  0.698993  1
  Mg  Mg333  1  0.945860  0.254335  0.669085  1
  Mg  Mg334  1  0.613141  0.724959  0.699038  1
  Mg  Mg335  1  0.779718  0.754431  0.669238  1
  Mg  Mg336  1  0.948279  0.724917  0.699151  1
